MgFeF5

MgFeF5 is a metastable, wide-gap insulating fluoride compound utilized primarily in fundamental solid-state materials research.

FFeMg
Crystal structure of MgFeF5
Ground-state structure · Materials Project
Overview

About MgFeF5

MgFeF5 is a complex fluoride compound that exhibits wide-gap insulating electronic characteristics. Its structural framework is defined by a notable degree of polymorphism, reflecting a metastable nature that makes it a subject of significant interest in solid-state chemistry research.

Because of its unique composition, this material is primarily studied for its physical properties and potential utility in specialized inorganic synthesis. Its stability profile suggests it occupies a distinct niche within fluoride-based materials science, where it serves as a model for understanding phase transitions.

At a glance

Key Properties

Cross-validated computational properties for MgFeF5, aggregated across 3 databases.

Band Gap

3.62–3.68 eV
Range across DFT structures

Energy Above Hull

0.049 eV/atom
Best (lowest) across sources

Stability

Metastable
2 DFT sources

Structures

9
3 databases, 3 space groups
Uses

Applications

Where MgFeF5 is used.

Fundamental materials researchSolid-state chemistry studies
Reference

Frequently Asked Questions

Common questions about MgFeF5, answered from cross-validated data.

What is MgFeF5?

MgFeF5 is a metastable, wide-gap insulating fluoride compound utilized primarily in fundamental solid-state materials research.

More questions
What is MgFeF5 used for?
MgFeF5 is used in fundamental materials research and solid-state chemistry studies.
What is the band gap of MgFeF5?
MgFeF5 has a DFT-computed band gap of 3.62–3.68 eV across 9 reported structures.
Is MgFeF5 a metal, semiconductor, or insulator?
With a wide band gap up to 3.68 eV it is an insulator / wide-band-gap material.
Is MgFeF5 thermodynamically stable?
MgFeF5 has a lowest energy above hull of 0.049 eV/atom (metastable).
How many polymorphs of MgFeF5 are known?
9 structures of MgFeF5 are reported across 3 databases, spanning 3 distinct space groups.
What elements does MgFeF5 contain?
MgFeF5 contains F, Fe, and Mg (3 elements).
Where does the data for MgFeF5 come from?
MgFeF5 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a metastable fluoride, MgFeF5 represents a specialized case within the broader family of metal fluorides. Unlike more common, highly stable binary fluorides, this compound highlights the structural complexity possible when combining magnesium and iron, serving as a key reference point for researchers investigating non-equilibrium phases in complex halide systems.

Data sources & attribution
  • latticegraph — Lattice Graph Materials Intelligence Platform

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